SCHEMBL5790673

SCHEMBL5790673

COC(=O)CCCC#CCN1C(=O)CCCC1C=CC(=O)Cc1ccccc1.O=C(O)CCCC#CCN1C(=O)CCCC1C=CC(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.45
PTGER3 P43115 3/20 0.39
PTGER2 P43116 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5790668 1.00 PTGER4 (0.45) PTGER4PTGER3PTGER2
SCHEMBL4373363 0.97 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL4377056 0.97 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL4377060 0.97 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL4375613 0.97 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL14277444 0.95 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL14293926 0.93 PTGER4 (0.44) PTGER4PTGER3PTGER2
SCHEMBL4384216 0.93 PTGER4 (0.44) PTGER4PTGER3PTGER2
SCHEMBL4384212 0.93 PTGER4 (0.44) PTGER4PTGER3PTGER2
SCHEMBL14277446 0.90 PTGER4 (0.43) PTGER4PTGER3PTGER2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631355-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS Allergan, Inc. (US) 2006-03-08 EP disclosed
WO-2004108215-A1 PIPERIDINYL PROSTAGLANDIN E ANALOGS ALLERGAN, INC. (US) 2004-12-16 WO disclosed